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DocumentationIdentifier: MM48046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48046 |
| SMILES |
C=CC(=O)NC(=C)CNC
|
| InChIKey |
OBWDYOORJWPYMS-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135532
Similarity: 0.7895
Similarity to MM135532
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264455
Similarity: 0.7463
Similarity to MM264455
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8547 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263132
Similarity: 0.6714
Similarity to MM263132
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8034 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
